SCHEMBL2473236

SCHEMBL2473236

CC1=CCCN=C1[C@H]1C[C@@H](O)C[C@@H](c2ncccc2C)N1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2476492 0.84 NOS3 (0.36) OPRL1
SCHEMBL2470462 0.84 NOS3 (0.36) OPRL1
SCHEMBL15387102 0.83 OPRL1 (0.36) OPRL1
SCHEMBL2475137 0.81 TNKS2 (0.33) OPRL1
SCHEMBL4247676 0.71
SCHEMBL5574130 0.71
SCHEMBL2470559 0.70 NOS3 (0.36) OPRL1
SCHEMBL2474035 0.68 OPRL1 (0.34) OPRL1
SCHEMBL26511990 0.68 OPRL1 (0.39) OPRL1
SCHEMBL2470093 0.68 OPRL1 (0.34) OPRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed